N-[(4,4,6,6-tetramethyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-2-amine

C14H27NO — CID 79933490

IUPACN-[(4,4,6,6-tetramethyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CC12CC(C)(C)OC2(C)C
InChIInChI=1S/C14H27NO/c1-10(2)15-8-11-7-14(11)9-12(3,4)16-13(14,5)6/h10-11,15H,7-9H2,1-6H3
InChIKeyQUWPDANGDOBFFB-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds3

About N-[(4,4,6,6-tetramethyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-2-amine

N-[(4,4,6,6-tetramethyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-2-amine (PubChem CID 79933490) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[(4,4,6,6-tetramethyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4,4,6,6-tetramethyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-2-amine
PubChem CID79933490
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[(4,4,6,6-tetramethyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CC12CC(C)(C)OC2(C)C
InChIInChI=1S/C14H27NO/c1-10(2)15-8-11-7-14(11)9-12(3,4)16-13(14,5)6/h10-11,15H,7-9H2,1-6H3
InChIKeyQUWPDANGDOBFFB-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4,4,6,6-tetramethyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4,4,6,6-tetramethyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4,4,6,6-tetramethyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-2-amine (CID 79933490) is N-[(4,4,6,6-tetramethyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4,4,6,6-tetramethyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4,4,6,6-tetramethyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-2-amine is CC(C)NCC1CC12CC(C)(C)OC2(C)C.
What is the InChIKey of N-[(4,4,6,6-tetramethyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-2-amine?
The InChIKey is QUWPDANGDOBFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-10(2)15-8-11-7-14(11)9-12(3,4)16-13(14,5)6/h10-11,15H,7-9H2,1-6H3.
What are the key properties of N-[(4,4,6,6-tetramethyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-2-amine?
N-[(4,4,6,6-tetramethyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-2-amine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4,6,6-tetramethyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 79933490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).